SCHEMBL4103286

SCHEMBL4103286

CCCc1nc(N)nc2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF1 P36956 1/20 0.43
SREBF2 Q12772 1/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ATR Q13535 1/20 0.38
GHSR Q92847 5/20 0.37
CYP2C9 P11712 1/20 0.37
KIF11 P52732 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4097669 0.87 NPC1 (0.47) ALDH1A1KDM4ELMNAHSP90AA1TP53
SCHEMBL4112723 0.86 MAPT (0.48) SREBF2HPGDALDH1A1KDM4ELMNA
SCHEMBL4101745 0.85 HEXA (0.39) MAPTKMT2AMEN1HEXAHEXB
SCHEMBL4102459 0.84 HEXA (0.36) GHSRHEXAHEXBMAP4K4
SCHEMBL4101903 0.83 CA2 (0.45) HPGDKDM4EMAPK8MAPK10KMT2A
SCHEMBL4101589 0.83 TP53 (0.47) HPGDALDH1A1KDM4ELMNAHSP90AA1
SCHEMBL4102279 0.83 KMT2A (0.44) SREBF2HPGDALDH1A1KDM4EMAPT
SCHEMBL823709 0.81 DHFR (0.43) SREBF1SREBF2HPGDALDH1A1KDM4E
SCHEMBL4095651 0.80 DHFR (0.43) SREBF2ALDH1A1KDM4EHEXAHEXB
SCHEMBL4102716 0.80 HEXA (0.39) HPGDALDH1A1KDM4EHEXAHEXB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD SREBF1 4840/4885SREBF2 4802/4885HPGD 493/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.